CID 3085680

Ethyl 3-(2,5-dimethoxyphenyl)propanoate

Structural Information

Molecular Formula
C13H18O4
SMILES
CCOC(=O)CCC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C13H18O4/c1-4-17-13(14)8-5-10-9-11(15-2)6-7-12(10)16-3/h6-7,9H,4-5,8H2,1-3H3
InChIKey
XBOHFGDUPHTTGX-UHFFFAOYSA-N
Compound name
ethyl 3-(2,5-dimethoxyphenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

238.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 152.7
[M+Na]+ 261.10973 160.2
[M-H]- 237.11323 156.5
[M+NH4]+ 256.15433 170.9
[M+K]+ 277.08367 159.5
[M+H-H2O]+ 221.11777 146.3
[M+HCOO]- 283.11871 176.1
[M+CH3COO]- 297.13436 193.1
[M+Na-2H]- 259.09518 156.3
[M]+ 238.11996 159.3
[M]- 238.12106 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe